#MD System 2.0 @Title neb0_image04 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.210341113894 0.527763025586 0.318267481092} C1 1 1 14 {} {0.264230877727 0.490717001906 0.276447778926} Si1 2 1 14 {} {0.163643954722 0.536227052513 0.237294359461} Si2 3 1 8 {} {0.276782458241 0.523628909047 0.178513433806} O1 4 1 8 {} {0.304183197878 0.511097974073 0.347378079631} O2 5 1 6 {} {0.262271652439 0.397546970423 0.269513244784} C2 6 1 6 {} {0.132084345827 0.456533059528 0.219593136942} C3 7 1 8 {} {0.18811690313 0.5620927614 0.143003691509} O3 8 1 8 {} {0.128300790793 0.597296596013 0.264378843198} O4 9 1 14 {} {0.355656325618 0.540026086138 0.352580220151} Si3 10 1 7 {} {0.390336739023 0.477020703652 0.394252598772} N1 11 1 14 {} {0.444597928494 0.475317202238 0.35280344527} Si4 12 1 14 {} {0.37004248236 0.422813689163 0.47705568984} Si5 13 1 7 {} {0.340900329679 0.460635639747 0.562419159999} N2 14 1 7 {} {0.465991989901 0.555441338071 0.358032365142} N3 15 1 1 {} {0.198710507155 0.499152924272 0.376722851392} H1 16 1 1 {} {0.218194103116 0.578603321022 0.342404160837} H2 17 1 1 {} {0.251305890736 0.543985018781 0.147856698117} H3 18 1 1 {} {0.257104456686 0.374521116603 0.335325482182} H4 19 1 1 {} {0.293991875808 0.37850384424 0.242751617758} H5 20 1 1 {} {0.235499510821 0.380500840955 0.224783113875} H6 21 1 1 {} {0.10557593479 0.462766262862 0.169527373359} H7 22 1 1 {} {0.116535406853 0.438823575837 0.281776227454} H8 23 1 1 {} {0.154467583059 0.416699785633 0.195972501776} H9 24 1 1 {} {0.169598229209 0.5852108412 0.0998213435949} H10 25 1 1 {} {0.0998936954827 0.584919056546 0.290376641909} H11 26 1 1 {} {0.372103181286 0.55998326497 0.262745504501} H12 27 1 1 {} {0.354574600363 0.598861146703 0.413683173332} H13 28 1 1 {} {0.468899939612 0.423298375855 0.405736869378} H14 29 1 1 {} {0.446910919648 0.457760324793 0.256125376217} H15 30 1 1 {} {0.338607687432 0.37368938718 0.436682415078} H16 31 1 1 {} {0.409564912139 0.388593807733 0.516190006492} H17 32 1 1 {} {0.309298478569 0.477116726444 0.551397996966} H18 33 1 1 {} {0.356907401013 0.491074959696 0.606377819063} H19 34 1 1 {} {0.489627036858 0.56984446468 0.313232275301} H20 35 1 1 {} {0.471650230496 0.577464241359 0.418129240476} H21 36 1 6 {} {0.650054672148 0.63818837551 0.494339970076} C4 37 1 14 {} {0.610672703109 0.574345568864 0.446793891775} Si6 38 1 14 {} {0.647539543084 0.724789927984 0.449454547381} Si7 39 1 8 {} {0.607833279826 0.582627110716 0.337078267903} O5 40 1 8 {} {0.630251226536 0.499544587941 0.470789015449} O6 41 1 6 {} {0.5538517073 0.580509089764 0.496729654737} C5 42 1 6 {} {0.599935240287 0.775222748303 0.494189219404} C6 43 1 8 {} {0.643353935983 0.713905097697 0.33897803229} O7 44 1 8 {} {0.695114662711 0.766200015327 0.465150632171} O8 45 1 14 {} {0.640736601873 0.421608330328 0.442950780286} Si8 46 1 7 {} {0.595360519072 0.369477667415 0.460953976643} N4 47 1 14 {} {0.575813206487 0.320262024511 0.372440692384} Si9 48 1 14 {} {0.570690053998 0.366096337852 0.567538446322} Si10 49 1 7 {} {0.605896050203 0.384858567907 0.65440605224} N5 50 1 7 {} {0.610819550182 0.257530071969 0.335073067804} N6 51 1 1 {} {0.645790952453 0.63960334972 0.567401512852} H22 52 1 1 {} {0.684108560246 0.619452251473 0.481905987959} H23 53 1 1 {} {0.620354286913 0.624788055971 0.315008728982} H24 54 1 1 {} {0.553770280311 0.570752227669 0.568824508339} H25 55 1 1 {} {0.532363844927 0.54297287245 0.464806732637} H26 56 1 1 {} {0.539084418124 0.630229582591 0.485054384926} H27 57 1 1 {} {0.599182756423 0.825637649437 0.464805318014} H28 58 1 1 {} {0.601994131035 0.780735472097 0.567137828801} H29 59 1 1 {} {0.567852892777 0.751082082715 0.479050095809} H30 60 1 1 {} {0.651260883287 0.751352900517 0.301027168359} H31 61 1 1 {} {0.69548553083 0.801165665918 0.509813997569} H32 62 1 1 {} {0.652243605261 0.416605514804 0.346177129239} H33 63 1 1 {} {0.679921948624 0.40125516896 0.497730124632} H34 64 1 1 {} {0.53404149685 0.288254030126 0.405268460807} H35 65 1 1 {} {0.567628431959 0.363079649415 0.292847689686} H36 66 1 1 {} {0.53346120079 0.415446806066 0.573811120737} H37 67 1 1 {} {0.553535198663 0.296620117051 0.579149517431} H38 68 1 1 {} {0.612481616606 0.4334790377 0.669304644378} H39 69 1 1 {} {0.632940361315 0.355816704383 0.667575071563} H40 70 1 1 {} {0.635420891284 0.268580039923 0.290811353586} H41 71 1 1 {} {0.620328927585 0.21969693871 0.376278294136} H42 72 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end